Chlorophenol red - ≥95%(HPLC) , CAS No.4430-20-0

CAS: 4430-20-0 Cat. No.: C104982 Molecular Weight: 423.27 Beilstein Registry Number: 354053 EC Number: 224-619-2

GRADE & PURITY ≥95%(HPLC)

Synonyms

A826532 | 4,4'-(3H-2,1-Benzoxathiol-3-ylidene)bis[2-chlorophenol], 9CI | NSC 7828 | 3',3'-Dichlorophenolsulfonaphthalein | 3,3-bis(3-chloro-4-hydroxyphenyl)-3H-2,1??-benzoxathiole-1,1-dione | P3S5KH33EA | AMY22418 | Chlorphenol Red | Chlorphenolsulfonphth

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

A826532 | 4, 4'-(3H-2, 1-Benzoxathiol-3-ylidene)bis[2-chlorophenol], 9CI | NSC 7828 | 3', 3'-Dichlorophenolsulfonaphthalein | 3, 3-bis(3-chloro-4-hydroxyphenyl)-3H-2, 1??-benzoxathiole-1, 1-dione | P3S5KH33EA | AMY22418 | Chlorphenol Red | Chlorphenolsulfonphth

Specifications & Purity

≥95%(HPLC)

Biochemical and Physiological Mechanisms

Chlorophenol red is a pH indicator. It is used as an optical transducer of acetyl cholinesterase inhibition by the analytes.Chlorophenol red is also used to selectively determine chlorine dioxide in drinking water.It has been used in the novel assay to de

Storage

Room temperature

Shipped In

Normal

Purity

≥95%(HPLC)

Names and Identifiers

• Pubchem Sid: 504752983
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752983
• Canonical Smiles: C1=CC=C2C(=C1)C(OS2(=O)=O)(C3=CC(=C(C=C3)O)Cl)C4=CC(=C(C=C4)O)Cl
• IUPAC Name: 2-chloro-4-[3-(3-chloro-4-hydroxyphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]phenol
• InChIKey: WWAABJGNHFGXSJ-UHFFFAOYSA-N
• INCHI: 1S/C19H12Cl2O5S/c20-14-9-11(5-7-16(14)22)19(12-6-8-17(23)15(21)10-12)13-3-1-2-4-18(13)27(24,25)26-19/h1-10,22-23H
• Isomeric SMILES: C1=CC=C2C(=C1)C(OS2(=O)=O)(C3=CC(=C(C=C3)O)Cl)C4=CC(=C(C=C4)O)Cl
• WGK Germany: 3
• Molecular Weight: 423.27
• Beilstein: 354053
• Reaxy-Rn: 354053
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=354053&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzofurans
      • Subclass Benzofuranones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzofurans
• Subclass: Benzofuranones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzofuranones
• Alternative Parents: Phthalides Benzoxathioles O-chlorophenols Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Organosulfonic acid esters Aryl chlorides Oxacyclic compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzofuranone - Phthalide - Benzoxathiole - 2-halophenol - 2-chlorophenol - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Halobenzene - Phenol - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid ester - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzofuranones. These are organic compounds containing a benzene ring fused to a furanone.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Solubility in water: Practically insoluble; Slightly soluble in Ethanol; Insoluble in Ether
• Sensitivity: Moisture sensitive.
• Melt Point(°C): 261-262°C
• Molecular Weight: 423.300 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 421.978 Da
• Monoisotopic Mass: 421.978 Da
• Topological Polar Surface Area: 92.200 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 625.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Li Fang, Hu Yuting, Li Zimu, Liu Jiachang, Guo Lei, He Jianbo.  (2019)  Three-dimensional microfluidic paper-based device for multiplexed colorimetric detection of six metal ions combined with use of a smartphone.  ANALYTICAL AND BIOANALYTICAL CHEMISTRY,  411  (24): (6497-6508).  [PMID:31350590] [10.1007/s00216-019-02032-5]

2. Yixuan Pan, Maohua Yang, Mei Zhang, Mingyan Jia.  (2019)  Rapid discrimination of commercial American ginseng and Asian ginseng according to diols composition using a colorimetric sensor array.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2019.05.029]

3. Xin Zhang, Dapeng Li, Ke Jiang, Chao Zeng, Mi He, Xiancheng Ma, Chongshan Yang, Ling Li, Tao Wen.  (2026)  MOF-enhanced colorimetric sensor array for early detection of citrus infestation by Bactrocera dorsalis.  POSTHARVEST BIOLOGY AND TECHNOLOGY,      [PMID:] [10.1016/j.postharvbio.2026.114242]